(5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C15H13F3N2O4S — CID 139920805

IUPAC(5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)(=O)=O)noc1C1CC1
InChIInChI=1S/C15H13F3N2O4S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)24-20-14(11)25(2,22)23/h5-6,8H,3-4H2,1-2H3
InChIKeyHJFJHMYNZMXLLT-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.91
Rot. Bonds4

About (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

(5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 139920805) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID139920805
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name(5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)(=O)=O)noc1C1CC1
InChIInChI=1S/C15H13F3N2O4S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)24-20-14(11)25(2,22)23/h5-6,8H,3-4H2,1-2H3
InChIKeyHJFJHMYNZMXLLT-UHFFFAOYSA-N
XLogP2.91
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 139920805) is (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)(=O)=O)noc1C1CC1.
What is the InChIKey of (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is HJFJHMYNZMXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)24-20-14(11)25(2,22)23/h5-6,8H,3-4H2,1-2H3.
What are the key properties of (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 374.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methylsulfonyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 139920805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).